Information card for entry 7209520

Structure parameters

• Formula: C15 H15 Cl3 I3 N5 O8 U
• Calculated formula: C15 H15 Cl3 I3 N5 O8 U
• SMILES: [U]1(Cl)(Cl)(Cl)(=O)(ON(=O)=[O]1)=O.Ic1cc[nH+]cc1.Ic1cc[nH+]cc1.Ic1cc[nH+]cc1.O=N(=O)[O-]
• Title of publication: Metal‒organic hybrids involving the [UO2Cl3(NO3)]2− tecton and the role of halogen polarizability
• Authors of publication: Andrews, Michael B.; Cahill, Christopher L.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 3082
• a: 7.9797 ± 0.0005 Å
• b: 25.0428 ± 0.0017 Å
• c: 14.7303 ± 0.001 Å
• α: 90°
• β: 103.019 ± 0.002°
• γ: 90°
• Cell volume: 2868 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No